N-methyl-1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]cyclopropan-1-amine

C10H16N2 — CID 144935846

IUPACN-methyl-1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]cyclopropan-1-amine
SMILESC=N/C=C\C(=C/C)C1(NC)CC1
InChIInChI=1S/C10H16N2/c1-4-9(5-8-11-2)10(12-3)6-7-10/h4-5,8,12H,2,6-7H2,1,3H3/b8-5-,9-4+
InChIKeyRGNFZELNDDEPCB-JDNPHIJCSA-N
MW164.25 g/mol
LogP1.90
Rot. Bonds4

About N-methyl-1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]cyclopropan-1-amine

N-methyl-1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]cyclopropan-1-amine (PubChem CID 144935846) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-methyl-1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]cyclopropan-1-amine
PubChem CID144935846
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-methyl-1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]cyclopropan-1-amine
SMILESC=N/C=C\C(=C/C)C1(NC)CC1
InChIInChI=1S/C10H16N2/c1-4-9(5-8-11-2)10(12-3)6-7-10/h4-5,8,12H,2,6-7H2,1,3H3/b8-5-,9-4+
InChIKeyRGNFZELNDDEPCB-JDNPHIJCSA-N
XLogP1.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]cyclopropan-1-amine?
The IUPAC name of N-methyl-1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]cyclopropan-1-amine (CID 144935846) is N-methyl-1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]cyclopropan-1-amine.
What is the SMILES notation for N-methyl-1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]cyclopropan-1-amine?
The canonical SMILES for N-methyl-1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]cyclopropan-1-amine is C=N/C=C\C(=C/C)C1(NC)CC1.
What is the InChIKey of N-methyl-1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]cyclopropan-1-amine?
The InChIKey is RGNFZELNDDEPCB-JDNPHIJCSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-9(5-8-11-2)10(12-3)6-7-10/h4-5,8,12H,2,6-7H2,1,3H3/b8-5-,9-4+.
What are the key properties of N-methyl-1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]cyclopropan-1-amine?
N-methyl-1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]cyclopropan-1-amine has a molecular weight of 164.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]cyclopropan-1-amine is sourced from PubChem (CID 144935846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).